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Displaying natural products 451 - 475 of 291370 in total
NP-MRD ID
CAS Number		Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass 		NMR Spectra
NP0338185
Morpholine
  • Not Available
ThumbC4H9NO

87.1204 Da
87.06841 Da		Not Available
NP0044895
110-58-7
Pentylamine
  • Apium graveolens
  • Brassica oleracea var. capitata
  • Cannabis sativa
  • Capsicum annuum
  • Hypholoma fasciculare
  • Malus pumila
  • Peucedanum palustre
  • Spinacia oleracea
  • (show allshow less)
ThumbC5H13N

87.1634 Da
87.10480 Da
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
NP0263193
3-methyl-2-butanamine
  • Vitis vinifera
ThumbC5H13N

87.1660 Da
87.10480 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
NP0046251
7440-24-6
Strontium
  • Allium cepa
  • Anacardium occidentale
  • Artemisia vulgaris
  • Asparagus officinalis
  • Bertholletia excelsa
  • Brassica oleracea var. capitata
  • Capsicum annuum
  • Cichorium endivia
  • Cinnamomum aromaticum
  • Cinnamomum verum
  • Citrus X sinensis (L.) Osbeck (pro. sp.)
  • Cocos nucifera
  • Corylus avellana
  • Cucumis melo
  • Cucumis sativus L.
  • Daucus carota
  • Daucus carota ssp. sativus
  • Diospyros virginiana
  • Glycine max
  • Juglans cinerea
  • Juglans nigra L.
  • Lactuca sativa
  • Linum usitatissimum
  • Malus pumila
  • Petasites japonicus
  • Petroselinum crispum
  • Phaseolus lunatus
  • Phaseolus vulgaris
  • Pimenta dioica
  • Pistacia vera
  • Prunus domestica
  • Prunus dulcis
  • Prunus persica
  • Pyrus communis
  • Solanum lycopersicum var. lycopersicum
  • Solanum melongena
  • Solanum tuberosum
  • Spinacia oleracea
  • Syzygium aromaticum
  • Taraxacum officinale
  • Vigna unguiculata ssp. unguiculata
  • Vitis vinifera L.
  • Zea mays L.
  • (show allshow less)
ThumbSr

87.6200 Da
87.90561 Da		Not Available
NP0234240
(4r)-4-hydroxyoxetan-2-one
  • Synsepalum dulcificum
ThumbC3H4O3

88.0620 Da
88.01604 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
NP0249399
4-hydroxyoxetan-2-one
  • Synsepalum dulcificum
ThumbC3H4O3

88.0620 Da
88.01604 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
NP0000944
127-17-3
Pyruvic acid
  • Abelmoschus esculentus
  • Actinidia chinensis
  • Agaricus bisporus
  • Agave
  • Allium ampeloprasum
  • Allium ascalonicum
  • Allium cepa
  • Allium fistulosum
  • Allium sativum
  • Allium schoenoprasum
  • Allium tuberosum
  • Allium cepa L.
  • Aloysia triphylla
  • Amaranthus
  • Amelanchier alnifolia
  • Anacardium occidentale
  • Ananas comosus
  • Anas platyrhynchos
  • Anatidae
  • Anethum graveolens
  • Angelica keiskei
  • Annona cherimola
  • Annona muricata
  • Annona reticulata
  • Annona squamosa
  • Anser anser
  • Anthriscus cerefolium
  • Apium graveolens
  • Apium graveolens var. dulce
  • Apium graveolens var. rapaceum
  • Apium graveolens var. secalinum
  • Arabidopsis thaliana
  • Arachis hypogaea
  • Arctium lappa
  • Armoracia rusticana
  • Artemisia dracunculus
  • Artemisia vulgaris
  • Artocarpus altilis
  • Artocarpus heterophyllus
  • Asparagus officinalis
  • Attalea speciosa
  • Auricularia auricula-judae
  • Auricularia polytricha
  • Avena sativa L.
  • Averrhoa carambola
  • Basella alba
  • Bauhinia purpurea
  • Benincasa hispida
  • Bertholletia excelsa
  • Beta vulgaris
  • Beta vulgaris ssp. cicla
  • Bison bison
  • Borago officinalis
  • Bos taurus X Bison bison
  • Bos taurus
  • Brassica alboglabra
  • Brassica juncea
  • Brassica napus
  • Brassica oleracea
  • Brassica oleracea var. botrytis
  • Brassica oleracea var. capitata
  • Brassica oleracea var. gemmifera
  • Brassica oleracea var. gongylodes
  • Brassica oleracea var. italica
  • Brassica oleracea var. sabauda
  • Brassica oleracea var. viridis
  • Brassica rapa
  • Brassica rapa ssp. chinensis
  • Brassica rapa var. pekinensis
  • Brassica rapa var. rapa
  • Brassica ruvo
  • Brassica napus var. napus
  • Brosimum alicastrum
  • Bubalus bubalis
  • Byrsonima crassifolia
  • Cajanus cajan
  • Canarium ovatum
  • Cannabis sativa
  • Cantharellus cibarius
  • Capparis spinosa
  • Capra aegagrus hircus
  • Capsella bursa-pastoris
  • Capsicum annuum
  • Capsicum annuum var. annuum
  • Capsicum chinense
  • Capsicum pubescens
  • Capsicum annuum L.
  • Carica papaya L.
  • Carissa macrocarpa
  • Carthamus tinctorius
  • Carum carvi
  • Carya
  • Carya illinoinensis
  • Castanea
  • Castanea crenata
  • Castanea mollissima
  • Castanea sativa
  • Ceratonia siliqua
  • Cervidae
  • Cervus canadensis
  • Chamaemelum nobile
  • Chamerion angustifolium
  • Chenopodium album
  • Chenopodium quinoa
  • Chrysanthemum coronarium
  • Cicer arietinum
  • Cichorium endivia
  • Cichorium intybus
  • Cinnamomum
  • Cinnamomum aromaticum
  • Cinnamomum verum
  • Cirsium
  • Citrullus lanatus
  • Citrus X sinensis (L.) Osbeck (pro. sp.)
  • Citrus aurantiifolia
  • Citrus latifolia
  • Citrus limon
  • Citrus maxima
  • Citrus paradisi
  • Citrus reticulata
  • Citrus ×limon (L.) Burm. f. (pro sp.)
  • Cocos nucifera
  • Coffea arabica L.
  • Coffea canephora
  • Colocasia esculenta
  • Columba
  • Columbidae
  • Corchorus olitorius
  • Coriandrum sativum L.
  • Corylus
  • Corylus avellana
  • Crateva religiosa
  • Crocus sativus
  • Cucumis melo
  • Cucumis metuliferus
  • Cucumis sativus L.
  • Cucurbita
  • Cucurbita maxima
  • Cucurbita moschata
  • Cuminum cyminum
  • Curcuma longa
  • Cydonia oblonga
  • Cymbopogon citratus
  • Cynara cardunculus
  • Cynara scolymus
  • Daucus carota
  • Daucus carota ssp. sativus
  • Delonix regia
  • Dimocarpus longan
  • Dioscorea
  • Dioscorea pentaphylla
  • Diospyros
  • Diospyros kaki
  • Diospyros virginiana
  • Dromaius novaehollandiae
  • Durio zibethinus
  • Dysphania ambrosioides
  • Elaeis
  • Eleocharis dulcis
  • Elettaria cardamomum
  • Empetrum nigrum
  • Equus caballus
  • Eragrostis tef
  • Eriobotrya japonica
  • Eruca vesicaria subsp. Sativa
  • Eugenia javanica
  • Eugenia uniflora
  • Eutrema japonicum
  • Fagopyrum esculentum
  • Fagopyrum tataricum
  • Fagus
  • Feijoa sellowiana
  • Ficus carica
  • Flammulina velutipes
  • Foeniculum vulgare
  • Fragaria x ananassa
  • Gallus gallus
  • Garcinia mangostana
  • Gaylussacia baccata
  • Ginkgo biloba
  • Glycine max
  • Gossypium
  • Grifola frondosa
  • Hedysarum alpinum
  • Helianthus annuus L.
  • Helianthus tuberosus
  • Hibiscus sabbariffa
  • Hippophae rhamnoides
  • Homo sapiens
  • Hordeum vulgare
  • Hyssopus officinalis L.
  • Illicium verum
  • Ipomoea aquatica
  • Ipomoea batatas
  • Juglans
  • Juglans ailanthifolia
  • Juglans cinerea
  • Juglans nigra L.
  • Juglans regia
  • Lablab purpureus
  • Lactuca sativa
  • Lagenaria siceraria
  • Lagopus muta
  • Lathyrus sativus
  • Laurus nobilis L.
  • Lens culinaris
  • Lentinus edodes
  • Lepidium sativum
  • Leporidae
  • Lepus timidus
  • Levisticum officinale
  • Linum usitatissimum
  • Litchi chinensis
  • Luffa aegyptiaca
  • Lupinus
  • Lupinus albus
  • Macadamia
  • Macadamia tetraphylla
  • Malpighia emarginata
  • Malus
  • Malus pumila
  • Mammea americana
  • Mangifera indica
  • Manihot esculenta
  • Manilkara zapota
  • Maranta arundinacea
  • Matricaria recutita
  • Matteuccia struthiopteris
  • Medicago sativa
  • Melanitta fusca
  • Meleagris gallopavo
  • Melissa officinalis L.
  • Mentha
  • Mentha aquatica
  • Mentha arvensis
  • Mentha spicata
  • Mentha x piperita
  • Mespilus germanica
  • Metroxylon sagu
  • Momordica charantia
  • Morchellaceae
  • Morella rubra
  • Moringa oleifera
  • Morus
  • Morus nigra
  • Musa acuminata
  • Musa x paradisiaca
  • Myrica
  • Myristica fragrans
  • Nelumbo
  • Nelumbo nucifera
  • Nephelium lappaceum
  • Numida meleagris
  • Nuphar lutea
  • Ocimum basilicum
  • Odocoileus
  • Oenothera biennis
  • Olea europaea
  • Opuntia
  • Opuntia cochenillifera
  • Opuntia macrorhiza
  • Origanum X majoricum
  • Origanum majorana
  • Origanum onites
  • Origanum vulgare
  • Oryctolagus
  • Oryza rufipogon
  • Oryza sativa
  • Ovis aries
  • Oxalis corniculata
  • Pachyrhizus erosus
  • Panax ginseng
  • Pangium edule
  • Panicum miliaceum
  • Paris polyphylla
  • Passiflora edulis
  • Pastinaca sativa
  • Pediomelum esculentum
  • Perideridia oregana
  • Persea americana
  • Petasites japonicus
  • Petroselinum crispum
  • Phaseolus coccineus
  • Phaseolus lunatus
  • Phaseolus vulgaris
  • Phasianidae
  • Phasianus colchicus
  • Phoenix dactylifera
  • Photinia melanocarpa
  • Phyllostachys edulis
  • Physalis
  • Physalis philadelphica var. immaculata
  • Phytolacca americana
  • Pimenta dioica
  • Pimpinella anisum
  • Pinus
  • Pinus edulis
  • Piper nigrum L.
  • Pistacia vera
  • Pisum sativum
  • Pleurotus ostreatus
  • Polygonum alpinum
  • Polygonum hydropiper
  • Polygonum persicaria
  • Populus tremula
  • Portulaca oleracea
  • Pouteria sapota
  • Prunus armeniaca
  • Prunus avium
  • Prunus cerasus
  • Prunus domestica
  • Prunus dulcis
  • Prunus persica
  • Prunus persica var. nucipersica
  • Prunus persica var. persica
  • Prunus tomentosa
  • Prunus virginiana
  • Prunus avium L.
  • Psidium cattleianum
  • Psidium guajava
  • Psophocarpus tetragonolobus
  • Pterocladia tenuis
  • Punica granatum
  • Pycnandra acuminata
  • Pyrus communis
  • Pyrus pyrifolia
  • Quercus
  • Raphanus sativus
  • Raphanus sativus var. longipinnatus
  • Raphanus sativus var. sativus
  • Rheum rhabarbarum
  • Ribes aureum
  • Ribes glandulosum
  • Ribes nigrum
  • Ribes rubrum
  • Ribes uva-crispa
  • Rosa
  • Rubus arcticus
  • Rubus chamaemorus
  • Rubus idaeus
  • Rubus occidentalis
  • Rubus spectabilis
  • Rumex
  • Rumex acetosa
  • Rumex articus
  • Sagittaria latifolia
  • Salix pulchra
  • Salmonella enterica
  • Salvia elegans
  • Salvia hispanica
  • Salvia officinalis
  • Salvia rosmarinus
  • Sambucus nigra
  • Sambucus nigra L.
  • Satureja hortensis L.
  • Satureja montana
  • Scorzonera hispanica
  • Sebertia acuminata
  • Secale cereale
  • Sechium edule
  • Sesamum indicum
  • Sesbania bispinosa
  • Sinapis alba
  • Sisymbrium
  • Solanum lycopersicum
  • Solanum lycopersicum var. cerasiforme
  • Solanum lycopersicum var. lycopersicum
  • Solanum melongena
  • Solanum quitoense
  • Solanum tuberosum
  • Sorbus aucuparia
  • Sorghum bicolor
  • Spinacia oleracea
  • Stevia rebaudiana
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • Syzygium aromaticum
  • Syzygium cumini
  • Syzygium jambos
  • Tamarindus indica
  • Taraxacum officinale
  • Tetragonia tetragonioides
  • Thelesperma
  • Thymus pulegioides
  • Thymus vulgaris
  • Tilia cordata
  • Tilia L.
  • Tragopogon porrifolius
  • Trigonella caerulea
  • Trigonella cerulea
  • Trigonella foenum-graecum
  • Triticum
  • Triticum aestivum
  • Triticum durum
  • Triticum spelta
  • Triticum turanicum
  • Trypanosoma brucei
  • Typha angustifolia
  • Typha latifolia
  • Vaccinium
  • Vaccinium angustifolium
  • Vaccinium angustifolium X Vaccinium corymbosum
  • Vaccinium arboreum
  • Vaccinium corymbosum
  • Vaccinium deliciosum
  • Vaccinium elliottii
  • Vaccinium macrocarpon
  • Vaccinium myrtilloides
  • Vaccinium myrtillus
  • Vaccinium ovalifolium
  • Vaccinium ovatum
  • Vaccinium oxycoccos
  • Vaccinium parvifolium
  • Vaccinium reticulatum
  • Vaccinium stamineum
  • Vaccinium uliginosum
  • Vaccinium vitis-idaea
  • Valerianella locusta
  • Vanilla
  • Verbena officinalis
  • Viburnum edule
  • Vicia faba
  • Vigna aconitifolia
  • Vigna angularis
  • Vigna mungo
  • Vigna radiata
  • Vigna umbellata
  • Vigna unguiculata
  • Vigna unguiculata ssp. cylindrica
  • Vigna unguiculata ssp. unguiculata
  • Vigna unguiculata var. sesquipedalis
  • Vitis
  • Vitis aestivalis
  • Vitis labrusca
  • Vitis rotundifolia
  • Vitis vinifera L.
  • Xanthosoma sagittifolium
  • Zea mays L.
  • Zingiber officinale
  • Zizania
  • Zizania aquatica
  • Ziziphus zizyphus
  • (show allshow less)
ThumbC3H4O3

88.0621 Da
88.01604 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
13C NMR Spectrum (1D, 400 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, experimental)
[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)
NP0091128
Malonic semialdehyde
  • Anas platyrhynchos
  • Anatidae
  • Anser anser
  • Bison bison
  • Bos taurus X Bison bison
  • Bos taurus
  • Bubalus bubalis
  • Capra aegagrus hircus
  • Cervidae
  • Cervus canadensis
  • Columba
  • Columbidae
  • Dromaius novaehollandiae
  • Equus caballus
  • Gallus gallus
  • Lagopus muta
  • Leporidae
  • Lepus timidus
  • Melanitta fusca
  • Meleagris gallopavo
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Phasianidae
  • Phasianus colchicus
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • Trypanosoma brucei
  • (show allshow less)
ThumbC3H4O3

88.0621 Da
88.01604 Da
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
NP0336857
Glucosereductone
  • Not Available
ThumbC3H4O3

88.0621 Da
88.01604 Da		Not Available
NP0084308
Oxamide
  • Triticum aestivum
ThumbC2H4N2O2

88.0654 Da
88.02728 Da		Not Available
NP0022088
PA-789-80
  • Marasmius
  • Mycetinis alliaceus
Data?1624507015C7H4

88.1090 Da
88.03130 Da
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
NP0047300
10152-76-8
3-(Methylthio)-1-propene
  • Allium cepa
  • Allium fistulosum
  • Allium sativum
  • Zingiber officinale
ThumbC4H8S

88.1710 Da
88.03467 Da		Not Available
NP0334861
tetrahydrothiophene
  • Not Available
ThumbC4H8S

88.1710 Da
88.03467 Da		Not Available
NP0337445
cis-2,3-Dimethylthiirane
  • Not Available
ThumbC4H8S

88.1700 Da
88.03467 Da		Not Available
NP0083714
2-(Vinyloxy)ethanol
  • Mangifera indica
ThumbC4H8O2

88.1060 Da
88.05243 Da
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
NP0177244
aldol
  • Hymenophyton flabellatum
  • Streptomyces venezuelae
ThumbC4H8O2

88.1060 Da
88.05243 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
NP0179670
2-butene-1,4-diol (trans)
  • Talaromyces aculeatus
ThumbC4H8O2

88.1060 Da
88.05243 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
NP0000723
513-86-0
Acetoin
  • Allium ampeloprasum
  • Allium cepa
  • Allium fistulosum
  • Aloe arborescens
  • Camellia sinensis
  • Capsicum annuum
  • Cocos nucifera
  • Coffea arabica
  • Coffea arabica L.
  • Coffea canephora
  • Corynebacterium glutamicum
  • Daphne odora
  • Daucus carota ssp. sativus
  • Ficus carica
  • Glycine max
  • Glycyrrhiza glabra
  • Helianthus annuus
  • Helianthus annuus L.
  • Litchi chinensis
  • Litsea cubeba
  • Malpighia emarginata
  • Mentha spicata
  • Plumeria rubra
  • Prunus persica
  • Rubus idaeus
  • Sergia lucens
  • Streptomyces avermitilis
  • Streptomyces virginiae
  • Theobroma cacao
  • Trifolium pratense
  • Vaccinium myrtillus
  • Vigna radiata
  • Vitis vinifera
  • Zea mays L.
  • (show allshow less)
ThumbC4H8O2

88.1051 Da
88.05243 Da
1H NMR Spectrum (1D, 600 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, experimental)
1H NMR Spectrum (1D, 600 MHz, H2O, simulated)
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
1H NMR Spectrum (1D, 600 MHz, H2O, simulated)
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)
NP0000892
107-92-6
Butyric acid
  • Abelmoschus esculentus
  • Abramis brama
  • Acipenseridae
  • Actinidia chinensis
  • Aethusa cynapium
  • Agaricus bisporus
  • Ajania fastigiata
  • Allium sativum
  • Allium schoenoprasum
  • Allium cepa L.
  • Anacardium occidentale
  • Ananas comosus
  • Anarhichas lupus
  • Anas platyrhynchos
  • Anatidae
  • Anethum graveolens
  • Anguilliformes
  • Annona cherimola
  • Anser anser
  • Anthriscus cerefolium
  • Apium graveolens
  • Apium graveolens var. rapaceum
  • Apium graveolens var. secalinum
  • Arachis hypogaea
  • Arctium lappa
  • Armoracia rusticana
  • Artemisia dracunculus
  • Artemisia xerophytica
  • Asparagus officinalis
  • Astacidea
  • Avena sativa L.
  • Averrhoa carambola
  • Belone belone
  • Bergera koenegii
  • Bertholletia excelsa
  • Beta vulgaris ssp. cicla
  • Bison bison
  • Blattella germanica
  • Bos taurus X Bison bison
  • Bos taurus
  • Brachyura
  • Brassica juncea
  • Brassica napus
  • Brassica oleracea
  • Brassica oleracea var. botrytis
  • Brassica oleracea var. gemmifera
  • Brassica oleracea var. gongylodes
  • Brassica oleracea var. italica
  • Brassica oleracea var. sabauda
  • Brassica rapa
  • Brassica rapa ssp. chinensis
  • Brassica rapa var. rapa
  • Brassica napus var. napus
  • Bubalus bubalis
  • Cannabis sativa
  • Cantharellus cibarius
  • Capra aegagrus hircus
  • Capsicum annuum
  • Capsicum annuum var. annuum
  • Carica papaya L.
  • Caridea
  • Carthamus tinctorius
  • Carya illinoinensis
  • Castanea
  • Ceratonia siliqua
  • Cervidae
  • Cervus canadensis
  • Cicer arietinum
  • Cichlidae
  • Cichorium endivia
  • Cichorium intybus
  • Cinnamomum
  • Cirsium
  • Citrullus lanatus
  • Citrus X sinensis (L.) Osbeck (pro. sp.)
  • Citrus aurantiifolia
  • Citrus limon
  • Citrus paradisi
  • Citrus reticulata
  • Citrus ×limon (L.) Burm. f. (pro sp.)
  • Clupeinae
  • Cocos nucifera
  • Coffea arabica
  • Coffea arabica L.
  • Coffea canephora
  • Columba
  • Columbidae
  • Coregonus
  • Coriandrum sativum L.
  • Corylus
  • Crassostrea gigas
  • Crassostrea virginica
  • Cucumis melo
  • Cucumis sativus L.
  • Cucurbita
  • Cucurbita maxima
  • Cyclopteridae
  • Cydonia oblonga
  • Cynara scolymus
  • Daucus carota
  • Daucus carota ssp. sativus
  • Dioscorea
  • Diospyros
  • Dromaius novaehollandiae
  • Durio zibethinus
  • Elaeis
  • Elettaria cardamomum
  • Engraulidae
  • Equus caballus
  • Eriobotrya japonica
  • Esox lucius
  • Eucheuma
  • Euphorbia tithymaloides
  • Fagopyrum esculentum
  • Ficus carica
  • Foeniculum vulgare
  • Fragaria x ananassa
  • Gadiformes
  • Gadus
  • Gallus gallus
  • Gastropoda
  • Ginkgo biloba
  • Glycine max
  • Glycyrrhiza glabra
  • Gossypium
  • Helianthus annuus L.
  • Helianthus tuberosus
  • Hibiscus sabbariffa
  • Hippoglossus hippoglossus
  • Homo sapiens (Urine)
  • Hoplostethus atlanticus
  • Hordeum vulgare
  • Ictalurus punctatus
  • Inula grandis
  • Ipomoea batatas
  • Juglans
  • Juglans nigra L.
  • Lactuca sativa
  • Lagopus muta
  • Laurus nobilis L.
  • Lens culinaris
  • Lepidium sativum
  • Leporidae
  • Lepus timidus
  • Levisticum officinale
  • Limanda limanda
  • Linum usitatissimum
  • Litchi chinensis
  • Lota lota
  • Malus
  • Malus pumila
  • Mangifera indica
  • Manihot esculenta
  • Medicago sativa
  • Melanitta fusca
  • Melanogrammus aeglefinus
  • Meleagris gallopavo
  • Mentha spicata
  • Merlangius merlangus
  • Micromesistius poutassou
  • Microstomus kitt
  • Molva molva
  • Musa x paradisiaca
  • Myristica fragrans
  • Mytilidae
  • Nephropidae
  • Nephrops norvegicus
  • Numida meleagris
  • Nuphar lutea
  • Ocimum basilicum
  • Octopus vulgaris
  • Odocoileus
  • Olea europaea
  • Oncorhynchus gorbuscha
  • Oncorhynchus kisutch
  • Oncorhynchus mykiss
  • Oncorhynchus nerka
  • Opuntia
  • Oryctolagus
  • Oryza sativa
  • Ovis aries
  • Panax ginseng
  • Panicum miliaceum
  • Papaver
  • Paraburkholderia phymatum
  • Passiflora edulis
  • Pastinaca sativa
  • Pectinidae
  • Pelargonium graveolens
  • Perciformes
  • Peristeria elata
  • Persea americana
  • Petroselinum crispum
  • Phaseolus lunatus
  • Phaseolus vulgaris
  • Phasianidae
  • Phasianus colchicus
  • Phoenix dactylifera
  • Phyllostachys edulis
  • Physalis
  • Pimpinella anisum
  • Pinus
  • Piper nigrum L.
  • Pistacia vera
  • Pisum sativum
  • Pleuronectidae
  • Pleuronectiformes
  • Pleurotus ostreatus
  • Pollachius
  • Polygala senega
  • Prunus armeniaca
  • Prunus domestica
  • Prunus dulcis
  • Prunus persica
  • Prunus persica var. nucipersica
  • Prunus avium L.
  • Psidium guajava
  • Pueraria montana
  • Punica granatum
  • Pycnandra acuminata
  • Pyrus communis
  • Ranidae
  • Raphanus sativus
  • Raphanus sativus var. longipinnatus
  • Reinhardtius hippoglossoides
  • Rheum rhabarbarum
  • Rhododendron sichotense
  • Ribes nigrum
  • Ribes rubrum
  • Ribes uva-crispa
  • Rosa
  • Rubus idaeus
  • Rumex acetosa
  • Saccharina japonica
  • Salmonidae
  • Salvelinus
  • Salvelinus namaycush
  • Salvia dorisiana
  • Sambucus nigra L.
  • Sander lucioperca
  • Scombridae
  • Scophthalmus maximus
  • Scorzonera hispanica
  • Sebastes alutus
  • Sebastes viviparus
  • Sebertia acuminata
  • Secale cereale
  • Sechium edule
  • Sesamum indicum
  • Siluriformes
  • Sinapis alba
  • Solanum lycopersicum
  • Solanum melongena
  • Solanum tuberosum
  • Sorghum bicolor
  • Spinacia oleracea
  • Spondias mombin
  • Squalus acanthias
  • Strombidae
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • Tamarindus indica
  • Taraxacum officinale
  • Thamnophis butleri
  • Theobroma cacao
  • Thunnus
  • Thunnus albacares
  • Trisopterus esmarkii
  • Triticum
  • Triticum aestivum
  • Triticum durum
  • Vaccinium
  • Vaccinium corymbosum
  • Vaccinium macrocarpon
  • Vaccinium myrtillus
  • Vaccinium vitis-idaea
  • Vanilla
  • Vicia faba
  • Vigna angularis
  • Vigna mungo
  • Vigna radiata
  • Vigna unguiculata ssp. unguiculata
  • Vitis
  • Vitis vinifera
  • Vitis vinifera L.
  • Zea mays L.
  • Zingiber officinale
  • Zizania
  • (show allshow less)
ThumbC4H8O2

88.1051 Da
88.05243 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 15 MHz, CDCl3, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
1H NMR Spectrum (1D, 700 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
NP0000932
141-78-6
Ethyl acetate
  • Acca sellowiana
  • Actinidia chinensis
  • Agaricus bisporus
  • Amorphophallus haematospadix
  • Ananas comosus
  • Angelica gigas
  • Aster scaber
  • Averrhoa carambola
  • Basella alba
  • Brassica oleracea var. italica
  • Cannabis sativa
  • Capsicum annuum
  • Carica papaya L.
  • Carthamus tinctorius
  • Chamaemelum nobile
  • Cinnamomum burmanni
  • Citrus X sinensis (L.) Osbeck (pro. sp.)
  • Citrus limonia
  • Citrus sinensis
  • Citrus sinensis L.
  • Coffea arabica
  • Coffea arabica L.
  • Croton lechleri Mull.Arg.
  • Cucumis melo
  • Cucumis sativus L.
  • Dendrobium superbum
  • Escherichia coli
  • Exospermum stipitatum
  • Ficus carica
  • Fusarium poae
  • Gossypium hirsutum
  • Helianthus annuus
  • Helianthus annuus L.
  • Helicobacter pylori
  • Litsea cubeba
  • Malus pumila
  • Mangifera indica
  • Musa paradisiaca
  • Olea europaea
  • Opuntia ficus-indica
  • Peristeria elata
  • Plectranthus glabratus
  • Plumeria rubra
  • Polygala senega
  • Prunus avium
  • Prunus persica
  • Psidium guajava
  • Pyrus communis
  • Pyrus pyrifolia
  • Rhizophora mangle
  • Ribes nigrum
  • Rubus idaeus
  • Rubus spp.
  • Rumex thyrsiflorus
  • Sergia lucens
  • Sida galheirensis
  • Spondias mombin
  • Swertia japonica
  • Theobroma cacao
  • Tricholoma matsutake
  • Vaccinium angustifolium
  • Vaccinium corymbosum
  • Vaccinium macrocarpon
  • Vasconcellea x heilbornii
  • Vitis rotundifolia
  • Vitis vinifera
  • Wickerhamomyces anomalus
  • Zea mays
  • Zea mays L.
  • Zingiber mioga
  • Zingiber officinale
  • Zygogynum spp.
  • (show allshow less)
ThumbC4H8O2

88.1051 Da
88.05243 Da
1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 15 MHz, CDCl3, experimental)
1H NMR Spectrum (1D, 700 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, experimental)
NP0000989
79-31-2
Isobutyric acid
  • Actinidia chinensis
  • Anas platyrhynchos
  • Anatidae
  • Anser anser
  • Apium graveolens
  • Apium graveolens var. dulce
  • Arctium lappa
  • Arnica montana
  • Bison bison
  • Blattella germanica
  • Bos taurus X Bison bison
  • Bos taurus
  • Bubalus bubalis
  • Capra aegagrus hircus
  • Capsicum annuum
  • Capsicum annuum var. annuum
  • Centipeda minima
  • Ceratonia siliqua
  • Cervidae
  • Cervus canadensis
  • Coffea arabica
  • Coffea arabica L.
  • Columba
  • Columbidae
  • Daphnia magna
  • Daucus carota
  • Daucus carota ssp. sativus
  • Dromaius novaehollandiae
  • Equus caballus
  • Gallus gallus
  • Glycyrrhiza glabra
  • Heracleum persicum
  • Lagopus muta
  • Lates calcarifer
  • Laurus nobilis L.
  • Lavandula angustifolia
  • Leporidae
  • Lepus timidus
  • Lithospermum erythrorhizon
  • Melanitta fusca
  • Meleagris gallopavo
  • Mentha x piperita
  • Morus alba
  • Myrtus communis
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Pelargonium graveolens
  • Phasianidae
  • Phasianus colchicus
  • Polygala senega
  • Prunus armeniaca
  • Rubus idaeus
  • Scarites subterraneus
  • Solanum pennellii
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • Thamnophis butleri
  • (show allshow less)
ThumbC4H8O2

88.1051 Da
88.05243 Da
1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
1H NMR Spectrum (1D, 700 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, experimental)
1H NMR Spectrum (1D, 700 MHz, H2O, simulated)
1H NMR Spectrum (1D, 700 MHz, H2O, experimental)
[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)
NP0047268
5077-67-8
1-Hydroxy-2-butanone
  • Agaricus bisporus
  • Coffea arabica L.
  • Coffea canephora
  • Glycyrrhiza glabra
  • Pleurotus ostreatus
ThumbC4H8O2

88.1051 Da
88.05243 Da		Not Available
NP0049594
110-74-7
Propyl formate
  • Aloe africana
  • Ananas comosus
  • Malus pumila
ThumbC4H8O2

88.1051 Da
88.05243 Da		Not Available
NP0049674
625-55-8
Isopropyl formate
  • Agaricus bisporus
  • Coffea arabica
  • Coffea arabica L.
  • Coffea canephora
  • Pleurotus ostreatus
ThumbC4H8O2

88.1051 Da
88.05243 Da		Not Available
NP0189186
methyl propionate
  • Actinidia chinensis
  • Ananas comosus
  • Coffea arabica
ThumbC4H8O2

88.1051 Da
88.05243 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
Displaying natural products 451 - 475 of 291370 in total